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BDBM24965 organophosphorus derivative, 6::{[(2S)-2-amino-3-(benzyloxy)propanamido]methyl}(methyl)phosphinic acid

SMILES: CP(O)(=O)CNC(=O)[C@@H](N)COCc1ccccc1

InChI Key: InChIKey=AEPNQCQDJBIFMP-NSHDSACASA-N

Data: 2 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 24965   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Urea Amidohydrolase


(Bacillus pasteurii)
BDBM24965
PNG
(organophosphorus derivative, 6 | {[(2S)-2-amino-3-...)
Show SMILES CP(O)(=O)CNC(=O)[C@@H](N)COCc1ccccc1 |r|
Show InChI InChI=1S/C12H19N2O4P/c1-19(16,17)9-14-12(15)11(13)8-18-7-10-5-3-2-4-6-10/h2-6,11H,7-9,13H2,1H3,(H,14,15)(H,16,17)/t11-/m0/s1
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.50E+4 -6.38 8.00E+4n/an/an/an/a7.030



Wroclaw University of Technology



Assay Description
Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrati...


J Med Chem 51: 5736-44 (2008)


Article DOI: 10.1021/jm800570q
BindingDB Entry DOI: 10.7270/Q2PR7T91
More data for this
Ligand-Target Pair
Urea Amidohydrolase


(Proteus vulgaris)
BDBM24965
PNG
(organophosphorus derivative, 6 | {[(2S)-2-amino-3-...)
Show SMILES CP(O)(=O)CNC(=O)[C@@H](N)COCc1ccccc1 |r|
Show InChI InChI=1S/C12H19N2O4P/c1-19(16,17)9-14-12(15)11(13)8-18-7-10-5-3-2-4-6-10/h2-6,11H,7-9,13H2,1H3,(H,14,15)(H,16,17)/t11-/m0/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.26E+4 -6.22 1.83E+5n/an/an/an/a7.030



Wroclaw University of Technology



Assay Description
Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrati...


J Med Chem 51: 5736-44 (2008)


Article DOI: 10.1021/jm800570q
BindingDB Entry DOI: 10.7270/Q2PR7T91
More data for this
Ligand-Target Pair